[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol

C11H11F3O — CID 95004062

IUPAC[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-4,8,10,15H,5-6H2/t8-,10+/m0/s1
InChIKeyNMCQHEXVLGPBQM-WCBMZHEXSA-N
MW216.20 g/mol
LogP2.80
Rot. Bonds2

About [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol

[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol (PubChem CID 95004062) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
PubChem CID95004062
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-4,8,10,15H,5-6H2/t8-,10+/m0/s1
InChIKeyNMCQHEXVLGPBQM-WCBMZHEXSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol (CID 95004062) is [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol is OC[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol?
The InChIKey is NMCQHEXVLGPBQM-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H11F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-4,8,10,15H,5-6H2/t8-,10+/m0/s1.
What are the key properties of [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol?
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol has a molecular weight of 216.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol is sourced from PubChem (CID 95004062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).