2-chloro-1-(difluoromethyl)-4-propylbenzene

C10H11ClF2 — CID 139607010

IUPAC2-chloro-1-(difluoromethyl)-4-propylbenzene
SMILESCCCc1ccc(C(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF2/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6,10H,2-3H2,1H3
InChIKeyHVRZNIUMOUZOBU-UHFFFAOYSA-N
MW204.65 g/mol
LogP4.23
Rot. Bonds3

About 2-chloro-1-(difluoromethyl)-4-propylbenzene

2-chloro-1-(difluoromethyl)-4-propylbenzene (PubChem CID 139607010) has the molecular formula C10H11ClF2 and a molecular weight of 204.65 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)-4-propylbenzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)-4-propylbenzene
PubChem CID139607010
Molecular FormulaC10H11ClF2
Molecular Weight204.65 g/mol
Exact Mass204.05
IUPAC Name2-chloro-1-(difluoromethyl)-4-propylbenzene
SMILESCCCc1ccc(C(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF2/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6,10H,2-3H2,1H3
InChIKeyHVRZNIUMOUZOBU-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-propylaniline
CID 19914844
1-bromo-3-[3-chloro-4-(difluoromethyl)phenyl]propan-2-one
CID 134616532
1-[bromo-(4-propylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863055
1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
CID 116545336
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole
CID 177016522
3-[4-(difluoromethyl)-3-ethylphenyl]propanal
CID 118801356
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
4-but-3-ynyl-2-chloro-1-propan-2-ylbenzene
CID 146392410
2-(3-chloro-4-propylphenyl)ethanol
CID 105425048
4-(3-chloro-4-pentan-3-ylphenyl)butanoic acid
CID 117425620
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)-4-propylbenzene?
The IUPAC name of 2-chloro-1-(difluoromethyl)-4-propylbenzene (CID 139607010) is 2-chloro-1-(difluoromethyl)-4-propylbenzene.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)-4-propylbenzene?
The canonical SMILES for 2-chloro-1-(difluoromethyl)-4-propylbenzene is CCCc1ccc(C(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(difluoromethyl)-4-propylbenzene?
The InChIKey is HVRZNIUMOUZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2/c1-2-3-7-4-5-8(10(12)13)9(11)6-7/h4-6,10H,2-3H2,1H3.
What are the key properties of 2-chloro-1-(difluoromethyl)-4-propylbenzene?
2-chloro-1-(difluoromethyl)-4-propylbenzene has a molecular weight of 204.65 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethyl)-4-propylbenzene is sourced from PubChem (CID 139607010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).