trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol

C6H11F2NO — CID 58385996

IUPACtrans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
SMILESN[C@H]1[C@@H](O)CCCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(10)5(6)9/h4-5,10H,1-3,9H2/t4-,5-/m0/s1
InChIKeyALEAIKNIHGZYGN-WHFBIAKZSA-N
MW151.16 g/mol
LogP0.49
Rot. Bonds

About trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol

trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol (PubChem CID 58385996) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
PubChem CID58385996
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Nametrans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
SMILESN[C@H]1[C@@H](O)CCCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(10)5(6)9/h4-5,10H,1-3,9H2/t4-,5-/m0/s1
InChIKeyALEAIKNIHGZYGN-WHFBIAKZSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminocyclohexanol
CID 23286
Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)-
CID 12228412
(1R,2R)-2-Aminocyclohexanol
CID 735777
(1S,2S)-2-aminocyclohexanol
CID 7057408
(1S,2R)-2-aminocyclohexan-1-ol hydrochloride
CID 17039400
(1R,2S)-2-aminocyclohexan-1-ol hydrochloride
CID 12228413
2-Amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
CID 62948392
(1S,2R)-2-Aminocyclohexanol
CID 2724651
(1S,2S)-2-Aminocyclohexanol hydrochloride
CID 11715205
rac-(1R,6S)-6-amino-2,2-difluorocyclohexan-1-ol hydrochloride
CID 121553414
2-Aminocyclohexanol hydrochloride
CID 21877202
cis-2-Aminocyclohexanol
CID 6542151

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol (CID 58385996) is trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol is N[C@H]1[C@@H](O)CCCC1(F)F.
What is the InChIKey of trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol?
The InChIKey is ALEAIKNIHGZYGN-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(10)5(6)9/h4-5,10H,1-3,9H2/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol?
trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 58385996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).