cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol

C9H17F2NO — CID 59603982

IUPACcis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@@H]1[C@@H](O)CCCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)12-8-7(13)4-3-5-9(8,10)11/h6-8,12-13H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyKWRNUQYCWYRCFQ-JGVFFNPUSA-N
MW193.24 g/mol
LogP1.53
Rot. Bonds2

About cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol

cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol (PubChem CID 59603982) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
PubChem CID59603982
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Namecis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@@H]1[C@@H](O)CCCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)12-8-7(13)4-3-5-9(8,10)11/h6-8,12-13H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyKWRNUQYCWYRCFQ-JGVFFNPUSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol (CID 59603982) is cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol is CC(C)N[C@@H]1[C@@H](O)CCCC1(F)F.
What is the InChIKey of cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol?
The InChIKey is KWRNUQYCWYRCFQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)12-8-7(13)4-3-5-9(8,10)11/h6-8,12-13H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol?
cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 59603982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).