[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol

C10H9F3O — CID 165456668

IUPAC[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
SMILESOC[C@@H]1[C@@H](c2cccc(F)c2)C1(F)F
InChIInChI=1S/C10H9F3O/c11-7-3-1-2-6(4-7)9-8(5-14)10(9,12)13/h1-4,8-9,14H,5H2/t8-,9-/m1/s1
InChIKeyPMXRESJXYKSYMT-RKDXNWHRSA-N
MW202.17 g/mol
LogP2.17
Rot. Bonds2

About [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol

[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol (PubChem CID 165456668) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
PubChem CID165456668
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
SMILESOC[C@@H]1[C@@H](c2cccc(F)c2)C1(F)F
InChIInChI=1S/C10H9F3O/c11-7-3-1-2-6(4-7)9-8(5-14)10(9,12)13/h1-4,8-9,14H,5H2/t8-,9-/m1/s1
InChIKeyPMXRESJXYKSYMT-RKDXNWHRSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
[(1S,2S,3R)-1-(aminomethyl)-2-(3-fluorophenyl)-3-methylsulfonylcyclopropyl]methanol
CID 124858186
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol
CID 130488853
(1R,2R,3R)-2-(3-fluorophenyl)-1-(hydroxymethyl)-3-methylsulfonylcyclopropane-1-carbonitrile
CID 124675658
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
2-[(5S)-3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 69088494
[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
CID 129394187
[5-(3-fluorophenyl)piperidin-2-yl]methanol
CID 117000449
[6-(3-fluorophenyl)piperidin-3-yl]methanol
CID 105463010

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol (CID 165456668) is [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol is OC[C@@H]1[C@@H](c2cccc(F)c2)C1(F)F.
What is the InChIKey of [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol?
The InChIKey is PMXRESJXYKSYMT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H9F3O/c11-7-3-1-2-6(4-7)9-8(5-14)10(9,12)13/h1-4,8-9,14H,5H2/t8-,9-/m1/s1.
What are the key properties of [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol?
[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol has a molecular weight of 202.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 165456668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).