1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene

C10H8ClF3 — CID 56847193

IUPAC1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyRKGWECZWODJWMS-DTWKUNHWSA-N
MW220.62 g/mol
LogP4.01
Rot. Bonds1

About 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene

1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 56847193) has the molecular formula C10H8ClF3 and a molecular weight of 220.62 g/mol. Its IUPAC name is 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID56847193
Molecular FormulaC10H8ClF3
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyRKGWECZWODJWMS-DTWKUNHWSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-4-(trifluoromethyl)benzene
CID 7394
4-Chlorobiphenyl
CID 16323
4,4'-Dichlorobiphenyl
CID 16308
1,1-Bis(4-chlorophenyl)ethane
CID 19076
Benzene, 1-butyl-4-chloro-
CID 524314
4-Chlorocumene
CID 17493
Benzene, 1-chloro-4-(1,1-dimethylethyl)-
CID 77594
4-Chloropentylbenzene
CID 2757748
4-Chloro-beta,beta-dimethylstyrene
CID 209164
(4-Chlorophenyl)phenylmethane
CID 13253
1-Chloro-4-ethylbenzene
CID 69330
4-Chloro-alpha-methylstyrene
CID 74381

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene (CID 56847193) is 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene is FC(F)(F)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is RKGWECZWODJWMS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H8ClF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1.
What are the key properties of 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 220.62 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 56847193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).