(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol

C11H12ClFO — CID 95002844

IUPAC(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
SMILESC[C@@H](O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFO/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8,14H,5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyVQOQDOFTPMLQDE-CSMHCCOUSA-N
MW214.67 g/mol
LogP2.96
Rot. Bonds2

About (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol

(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol (PubChem CID 95002844) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
PubChem CID95002844
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
SMILESC[C@@H](O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFO/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8,14H,5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyVQOQDOFTPMLQDE-CSMHCCOUSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
CID 95002845
(1S)-1-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 124746610
(1S)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 95002863
1-[2-(2-fluorophenyl)cyclopropyl]ethanol
CID 43828893
(1R)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
CID 28912159
(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
CID 28912160
(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
CID 119333045
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320733
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol (CID 95002844) is (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol is C[C@@H](O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl.
What is the InChIKey of (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol?
The InChIKey is VQOQDOFTPMLQDE-CSMHCCOUSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8,14H,5H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol?
(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol has a molecular weight of 214.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 95002844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).