1-chloro-4-propyl-2-(trifluoromethoxy)benzene

C10H10ClF3O — CID 70309410

IUPAC1-chloro-4-propyl-2-(trifluoromethoxy)benzene
SMILESCCCc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C10H10ClF3O/c1-2-3-7-4-5-8(11)9(6-7)15-10(12,13)14/h4-6H,2-3H2,1H3
InChIKeyHXSPAVWFIMVPGK-UHFFFAOYSA-N
MW238.64 g/mol
LogP4.19
Rot. Bonds3

About 1-chloro-4-propyl-2-(trifluoromethoxy)benzene

1-chloro-4-propyl-2-(trifluoromethoxy)benzene (PubChem CID 70309410) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 1-chloro-4-propyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-propyl-2-(trifluoromethoxy)benzene
PubChem CID70309410
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name1-chloro-4-propyl-2-(trifluoromethoxy)benzene
SMILESCCCc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C10H10ClF3O/c1-2-3-7-4-5-8(11)9(6-7)15-10(12,13)14/h4-6H,2-3H2,1H3
InChIKeyHXSPAVWFIMVPGK-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-4-propyl-2-(trifluoromethoxy)benzene (CID 70309410) is 1-chloro-4-propyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-4-propyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-4-propyl-2-(trifluoromethoxy)benzene is CCCc1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-propyl-2-(trifluoromethoxy)benzene?
The InChIKey is HXSPAVWFIMVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-2-3-7-4-5-8(11)9(6-7)15-10(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 1-chloro-4-propyl-2-(trifluoromethoxy)benzene?
1-chloro-4-propyl-2-(trifluoromethoxy)benzene has a molecular weight of 238.64 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 70309410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).