(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol

C9H17F2NO — CID 70639553

IUPAC(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol
SMILESN[C@H](CO)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)3-1-7(2-4-9)5-8(12)6-13/h7-8,13H,1-6,12H2/t8-/m0/s1
InChIKeyFKYKNUUEWBNFQI-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol

(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol (PubChem CID 70639553) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol
PubChem CID70639553
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol
SMILESN[C@H](CO)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)3-1-7(2-4-9)5-8(12)6-13/h7-8,13H,1-6,12H2/t8-/m0/s1
InChIKeyFKYKNUUEWBNFQI-QMMMGPOBSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol (CID 70639553) is (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol is N[C@H](CO)CC1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol?
The InChIKey is FKYKNUUEWBNFQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)3-1-7(2-4-9)5-8(12)6-13/h7-8,13H,1-6,12H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol?
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4,4-difluorocyclohexyl)propan-1-ol is sourced from PubChem (CID 70639553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).