cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol

C15H20F2O — CID 163503676

IUPACcis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol
SMILESC[C@@H](C[C@@H]1[C@@H](O)CCCC1(F)F)c1ccccc1
InChIInChI=1S/C15H20F2O/c1-11(12-6-3-2-4-7-12)10-13-14(18)8-5-9-15(13,16)17/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyFPNZAJODMTWLTG-YUTCNCBUSA-N
MW254.32 g/mol
LogP3.98
Rot. Bonds3

About cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol

cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol (PubChem CID 163503676) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol
PubChem CID163503676
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Namecis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol
SMILESC[C@@H](C[C@@H]1[C@@H](O)CCCC1(F)F)c1ccccc1
InChIInChI=1S/C15H20F2O/c1-11(12-6-3-2-4-7-12)10-13-14(18)8-5-9-15(13,16)17/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyFPNZAJODMTWLTG-YUTCNCBUSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
trans-(1S,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 11428732
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
(2R)-2-[(2R)-2-phenylpropyl]imidazolidin-4-one
CID 129386210
2-(2-phenylpropyl)thiolane 1,1-dioxide
CID 70637114
7-(2-phenylpropylsulfonyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 167906389
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol (CID 163503676) is cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol is C[C@@H](C[C@@H]1[C@@H](O)CCCC1(F)F)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol?
The InChIKey is FPNZAJODMTWLTG-YUTCNCBUSA-N. The full InChI is InChI=1S/C15H20F2O/c1-11(12-6-3-2-4-7-12)10-13-14(18)8-5-9-15(13,16)17/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3/t11-,13+,14-/m0/s1.
What are the key properties of cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol?
cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol is sourced from PubChem (CID 163503676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).