1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene

C7H9F5 — CID 58864057

IUPAC1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene
SMILESCCC(C(C)=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-3-5(7(10,11)12)4(2)6(8)9/h5H,3H2,1-2H3
InChIKeyNIRBDNHOCWFSOD-UHFFFAOYSA-N
MW188.14 g/mol
LogP3.75
Rot. Bonds2

About 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene

1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene (PubChem CID 58864057) has the molecular formula C7H9F5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene
PubChem CID58864057
Molecular FormulaC7H9F5
Molecular Weight188.14 g/mol
Exact Mass188.06
IUPAC Name1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene
SMILESCCC(C(C)=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-3-5(7(10,11)12)4(2)6(8)9/h5H,3H2,1-2H3
InChIKeyNIRBDNHOCWFSOD-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene (CID 58864057) is 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene is CCC(C(C)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene?
The InChIKey is NIRBDNHOCWFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5/c1-3-5(7(10,11)12)4(2)6(8)9/h5H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene?
1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene has a molecular weight of 188.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 58864057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).