1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene

C7HCl3F10 — CID 159561664

IUPAC1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(Cl)=C(C(F)(F)F)C(F)(F)F.FC(F)(F)C=C(Cl)Cl
InChIInChI=1S/C4ClF7.C3HCl2F3/c5-2(6)1(3(7,8)9)4(10,11)12;4-2(5)1-3(6,7)8/h;1H
InChIKeyMGRUPRXAPFJIFZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP6.40
Rot. Bonds

About 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene

1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene (PubChem CID 159561664) has the molecular formula C7HCl3F10 and a molecular weight of 381.42 g/mol. Its IUPAC name is 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
PubChem CID159561664
Molecular FormulaC7HCl3F10
Molecular Weight381.42 g/mol
Exact Mass379.90
IUPAC Name1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(Cl)=C(C(F)(F)F)C(F)(F)F.FC(F)(F)C=C(Cl)Cl
InChIInChI=1S/C4ClF7.C3HCl2F3/c5-2(6)1(3(7,8)9)4(10,11)12;4-2(5)1-3(6,7)8/h;1H
InChIKeyMGRUPRXAPFJIFZ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene (CID 159561664) is 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene is FC(Cl)=C(C(F)(F)F)C(F)(F)F.FC(F)(F)C=C(Cl)Cl.
What is the InChIKey of 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is MGRUPRXAPFJIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF7.C3HCl2F3/c5-2(6)1(3(7,8)9)4(10,11)12;4-2(5)1-3(6,7)8/h;1H.
What are the key properties of 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene?
1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 381.42 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 159561664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).