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

C6H10ClF2NO — CID 154938165

IUPACcis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](NCl)CCCC1(F)F
InChIInChI=1S/C6H10ClF2NO/c7-10-4-2-1-3-6(8,9)5(4)11/h4-5,10-11H,1-3H2/t4-,5+/m1/s1
InChIKeyTWVRHTHGBKQXAL-UHNVWZDZSA-N
MW185.60 g/mol
LogP1.28
Rot. Bonds1

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

cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol (PubChem CID 154938165) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
PubChem CID154938165
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Namecis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](NCl)CCCC1(F)F
InChIInChI=1S/C6H10ClF2NO/c7-10-4-2-1-3-6(8,9)5(4)11/h4-5,10-11H,1-3H2/t4-,5+/m1/s1
InChIKeyTWVRHTHGBKQXAL-UHNVWZDZSA-N
XLogP1.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-1-N,2-N-dichloro-3,3-difluorocyclohexane-1,2-diamine
CID 59603992
trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
CID 124565378
1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 164641465
trans-(1R,2R)-1-N,2-N-dichlorocyclopentane-1,2-diamine
CID 121422053
trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
CID 58385996
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide
CID 176856836
4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
CID 130751523
4-[[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]amino]-N-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 126666816
N-cyclopropyl-2,2-difluorocyclopentane-1-carboxamide
CID 131101773
4,4-difluorocycloheptan-1-ol
CID 155821204
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628

Frequently Asked Questions

What is the IUPAC name of cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol?
The IUPAC name of cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol (CID 154938165) is cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol.
What is the SMILES notation for cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol?
The canonical SMILES for cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol is O[C@H]1[C@H](NCl)CCCC1(F)F.
What is the InChIKey of cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol?
The InChIKey is TWVRHTHGBKQXAL-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10ClF2NO/c7-10-4-2-1-3-6(8,9)5(4)11/h4-5,10-11H,1-3H2/t4-,5+/m1/s1.
What are the key properties of cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol?
cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol has a molecular weight of 185.60 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol is sourced from PubChem (CID 154938165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).