1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol

C10H18F3NO — CID 115719662

IUPAC1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C10H18F3NO/c1-8(6-10(11,12)13)14-7-9(15)4-2-3-5-9/h8,14-15H,2-7H2,1H3
InChIKeyBALWFIZMKYCUCY-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds4

About 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol

1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 115719662) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID115719662
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C10H18F3NO/c1-8(6-10(11,12)13)14-7-9(15)4-2-3-5-9/h8,14-15H,2-7H2,1H3
InChIKeyBALWFIZMKYCUCY-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol hydrochloride
CID 155821242
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
CID 136540126
1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 70321196
2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 89826230
2-(4,4-Difluoropyrrolidin-2-yl)propan-2-ol
CID 89826233
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
(2S)-1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 142507424
2-(Aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
CID 163994336
trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
CID 167273949
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
1-[(Propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757357

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol (CID 115719662) is 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol is CC(CC(F)(F)F)NCC1(O)CCCC1.
What is the InChIKey of 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is BALWFIZMKYCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(6-10(11,12)13)14-7-9(15)4-2-3-5-9/h8,14-15H,2-7H2,1H3.
What are the key properties of 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol?
1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115719662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).