(3-chloro-2,2,3-trifluoropropyl)benzene

C9H8ClF3 — CID 134892808

IUPAC(3-chloro-2,2,3-trifluoropropyl)benzene
SMILESFC(Cl)C(F)(F)Cc1ccccc1
InChIInChI=1S/C9H8ClF3/c10-8(11)9(12,13)6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWSBXRMKADMGJDB-UHFFFAOYSA-N
MW208.61 g/mol
LogP3.40
Rot. Bonds3

About (3-chloro-2,2,3-trifluoropropyl)benzene

(3-chloro-2,2,3-trifluoropropyl)benzene (PubChem CID 134892808) has the molecular formula C9H8ClF3 and a molecular weight of 208.61 g/mol. Its IUPAC name is (3-chloro-2,2,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name(3-chloro-2,2,3-trifluoropropyl)benzene
PubChem CID134892808
Molecular FormulaC9H8ClF3
Molecular Weight208.61 g/mol
Exact Mass208.03
IUPAC Name(3-chloro-2,2,3-trifluoropropyl)benzene
SMILESFC(Cl)C(F)(F)Cc1ccccc1
InChIInChI=1S/C9H8ClF3/c10-8(11)9(12,13)6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWSBXRMKADMGJDB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-fluoro-2-methylpropyl)benzene
CID 14343442
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
2,2-difluorobutylbenzene
CID 12695736
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
CID 12634147
1,1,1-trifluoro-3-phenylpropane-2-thiol
CID 71774417
2-benzyl-1-bromo-1,1-difluoro-3-phenylpropan-2-ol
CID 107140484
2,2-difluoro-3-phenylpropanenitrile
CID 83855334
2,2-difluoro-3-phenylpropanoic acid
CID 69365338

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,2,3-trifluoropropyl)benzene?
The IUPAC name of (3-chloro-2,2,3-trifluoropropyl)benzene (CID 134892808) is (3-chloro-2,2,3-trifluoropropyl)benzene.
What is the SMILES notation for (3-chloro-2,2,3-trifluoropropyl)benzene?
The canonical SMILES for (3-chloro-2,2,3-trifluoropropyl)benzene is FC(Cl)C(F)(F)Cc1ccccc1.
What is the InChIKey of (3-chloro-2,2,3-trifluoropropyl)benzene?
The InChIKey is WSBXRMKADMGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3/c10-8(11)9(12,13)6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of (3-chloro-2,2,3-trifluoropropyl)benzene?
(3-chloro-2,2,3-trifluoropropyl)benzene has a molecular weight of 208.61 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,2,3-trifluoropropyl)benzene is sourced from PubChem (CID 134892808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).