[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol

C14H19F2NO — CID 114178654

IUPAC[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1NCC(F)(F)c1ccccc1
InChIInChI=1S/C14H19F2NO/c15-14(16,12-6-2-1-3-7-12)10-17-13-8-4-5-11(13)9-18/h1-3,6-7,11,13,17-18H,4-5,8-10H2
InChIKeyNYSBGAOXUKJSOL-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.53
Rot. Bonds5

About [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol

[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol (PubChem CID 114178654) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
PubChem CID114178654
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1NCC(F)(F)c1ccccc1
InChIInChI=1S/C14H19F2NO/c15-14(16,12-6-2-1-3-7-12)10-17-13-8-4-5-11(13)9-18/h1-3,6-7,11,13,17-18H,4-5,8-10H2
InChIKeyNYSBGAOXUKJSOL-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
CID 106361158
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothian-4-amine
CID 116788857
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 116789143
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
CID 106364533
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol (CID 114178654) is [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol is OCC1CCCC1NCC(F)(F)c1ccccc1.
What is the InChIKey of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol?
The InChIKey is NYSBGAOXUKJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16,12-6-2-1-3-7-12)10-17-13-8-4-5-11(13)9-18/h1-3,6-7,11,13,17-18H,4-5,8-10H2.
What are the key properties of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol?
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol has a molecular weight of 255.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 114178654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).