cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol

C6H11F2NO — CID 58046455

IUPACcis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol
SMILESN[C@@H]1CCCC(F)(F)[C@H]1O
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5+/m1/s1
InChIKeyYELVGYMNGIHCKI-UHNVWZDZSA-N
MW151.16 g/mol
LogP0.49
Rot. Bonds

About cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol

cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol (PubChem CID 58046455) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol
PubChem CID58046455
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Namecis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol
SMILESN[C@@H]1CCCC(F)(F)[C@H]1O
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5+/m1/s1
InChIKeyYELVGYMNGIHCKI-UHNVWZDZSA-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 cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The IUPAC name of cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol (CID 58046455) is cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol.
What is the SMILES notation for cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The canonical SMILES for cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol is N[C@@H]1CCCC(F)(F)[C@H]1O.
What is the InChIKey of cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The InChIKey is YELVGYMNGIHCKI-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5+/m1/s1.
What are the key properties of cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
cis-(1S,6R)-6-amino-2,2-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 cis-(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol is sourced from PubChem (CID 58046455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).