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

C11H13FO — CID 28912160

IUPAC(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3/t7-,9+,10+/m0/s1
InChIKeyINGHJOQUPRFQII-FXBDTBDDSA-N
MW180.22 g/mol
LogP2.31
Rot. Bonds2

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

(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol (PubChem CID 28912160) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
PubChem CID28912160
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3/t7-,9+,10+/m0/s1
InChIKeyINGHJOQUPRFQII-FXBDTBDDSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]ethanol
CID 43828893
(1R)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
CID 28912159
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
(1S)-1-[(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
CID 95002845
(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
CID 95002844
(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-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene
CID 161277598
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol (CID 28912160) is (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol is C[C@H](O)[C@H]1C[C@@H]1c1ccccc1F.
What is the InChIKey of (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol?
The InChIKey is INGHJOQUPRFQII-FXBDTBDDSA-N. The full InChI is InChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3/t7-,9+,10+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol?
(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol has a molecular weight of 180.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 28912160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).