[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol

C14H17F2NO — CID 86787513

IUPAC[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO/c1-9(12-3-2-4-13(15)14(12)16)17-11-6-5-10(7-11)8-18/h2-6,9-11,17-18H,7-8H2,1H3/t9?,10-,11+/m0/s1
InChIKeyCQQYXRJLIGSKRW-QXXIUIOUSA-N
MW253.29 g/mol
LogP2.55
Rot. Bonds4

About [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787513) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
PubChem CID86787513
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO/c1-9(12-3-2-4-13(15)14(12)16)17-11-6-5-10(7-11)8-18/h2-6,9-11,17-18H,7-8H2,1H3/t9?,10-,11+/m0/s1
InChIKeyCQQYXRJLIGSKRW-QXXIUIOUSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
CID 99777354
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103924886
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide
CID 99576760
N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
CID 43223961
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol (CID 86787513) is [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol is CC(N[C@@H]1C=C[C@H](CO)C1)c1cccc(F)c1F.
What is the InChIKey of [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is CQQYXRJLIGSKRW-QXXIUIOUSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9(12-3-2-4-13(15)14(12)16)17-11-6-5-10(7-11)8-18/h2-6,9-11,17-18H,7-8H2,1H3/t9?,10-,11+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 253.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).