[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

C11H17F5N2O — CID 172588371

IUPAC[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESOC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F
InChIInChI=1S/C11H17F5N2O/c12-10(13)5-9(10,8-19)6-17-1-3-18(4-2-17)7-11(14,15)16/h19H,1-8H2/t9-/m1/s1
InChIKeyVENHLQXKQNESLR-SECBINFHSA-N
MW288.26 g/mol
LogP1.18
Rot. Bonds4

About [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 172588371) has the molecular formula C11H17F5N2O and a molecular weight of 288.26 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
PubChem CID172588371
Molecular FormulaC11H17F5N2O
Molecular Weight288.26 g/mol
Exact Mass288.13
IUPAC Name[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESOC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F
InChIInChI=1S/C11H17F5N2O/c12-10(13)5-9(10,8-19)6-17-1-3-18(4-2-17)7-11(14,15)16/h19H,1-8H2/t9-/m1/s1
InChIKeyVENHLQXKQNESLR-SECBINFHSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172588356
[(1R)-1-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,2-difluorocyclopropyl]methanol
CID 176131837
[2,2-Difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 176568586
1-[[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568648
[1-[(4,4-Difluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 176927669
[1-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 176939437
[2,2-Difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 177010059
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 55142134
2-Ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-ol
CID 62967589

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (CID 172588371) is [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is OC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is VENHLQXKQNESLR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17F5N2O/c12-10(13)5-9(10,8-19)6-17-1-3-18(4-2-17)7-11(14,15)16/h19H,1-8H2/t9-/m1/s1.
What are the key properties of [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 288.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 172588371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).