1,1-difluorobut-1-ene;pentanoic acid

C9H16F2O2 — CID 174479516

IUPAC1,1-difluorobut-1-ene;pentanoic acid
SMILESCCC=C(F)F.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C4H6F2/c1-2-3-4-5(6)7;1-2-3-4(5)6/h2-4H2,1H3,(H,6,7);3H,2H2,1H3
InChIKeyRLRZQDZQJFQVAM-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.44
Rot. Bonds4

About 1,1-difluorobut-1-ene;pentanoic acid

1,1-difluorobut-1-ene;pentanoic acid (PubChem CID 174479516) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1,1-difluorobut-1-ene;pentanoic acid.

Molecular Properties

Compound Name1,1-difluorobut-1-ene;pentanoic acid
PubChem CID174479516
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name1,1-difluorobut-1-ene;pentanoic acid
SMILESCCC=C(F)F.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C4H6F2/c1-2-3-4-5(6)7;1-2-3-4(5)6/h2-4H2,1H3,(H,6,7);3H,2H2,1H3
InChIKeyRLRZQDZQJFQVAM-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456
hypochlorous acid;pentanoic acid
CID 157152267
CID 174614333
CID 174614333
6,6-difluorohex-5-enoic acid
CID 11298056
pentanoic acid;propan-1-ol
CID 87061359
CID 87085873
CID 87085873

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobut-1-ene;pentanoic acid?
The IUPAC name of 1,1-difluorobut-1-ene;pentanoic acid (CID 174479516) is 1,1-difluorobut-1-ene;pentanoic acid.
What is the SMILES notation for 1,1-difluorobut-1-ene;pentanoic acid?
The canonical SMILES for 1,1-difluorobut-1-ene;pentanoic acid is CCC=C(F)F.CCCCC(=O)O.
What is the InChIKey of 1,1-difluorobut-1-ene;pentanoic acid?
The InChIKey is RLRZQDZQJFQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H6F2/c1-2-3-4-5(6)7;1-2-3-4(5)6/h2-4H2,1H3,(H,6,7);3H,2H2,1H3.
What are the key properties of 1,1-difluorobut-1-ene;pentanoic acid?
1,1-difluorobut-1-ene;pentanoic acid has a molecular weight of 194.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobut-1-ene;pentanoic acid is sourced from PubChem (CID 174479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).