1-fluoro-4,4-dimethylpent-1-ene

C7H13F — CID 123199486

IUPAC1-fluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=CF
InChIInChI=1S/C7H13F/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3
InChIKeyPEFNNLKMKFYNOT-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.91
Rot. Bonds1

About 1-fluoro-4,4-dimethylpent-1-ene

1-fluoro-4,4-dimethylpent-1-ene (PubChem CID 123199486) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-fluoro-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1-fluoro-4,4-dimethylpent-1-ene
PubChem CID123199486
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name1-fluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=CF
InChIInChI=1S/C7H13F/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3
InChIKeyPEFNNLKMKFYNOT-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4,4-dimethylpent-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

Related Compounds

(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
CID 173486869
CID 173486869
1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
CID 161059652
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
CID 176629655
2,2,6-trimethyloct-4-ene
CID 91281227
tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane
CID 58200092
N,N-diethyl-5,5-dimethylhex-2-en-1-amine
CID 170847589
(E)-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 122630459
(E)-2,2,9-trimethyldec-4-ene
CID 176646418

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,4-dimethylpent-1-ene?
The IUPAC name of 1-fluoro-4,4-dimethylpent-1-ene (CID 123199486) is 1-fluoro-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1-fluoro-4,4-dimethylpent-1-ene?
The canonical SMILES for 1-fluoro-4,4-dimethylpent-1-ene is CC(C)(C)CC=CF.
What is the InChIKey of 1-fluoro-4,4-dimethylpent-1-ene?
The InChIKey is PEFNNLKMKFYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3.
What are the key properties of 1-fluoro-4,4-dimethylpent-1-ene?
1-fluoro-4,4-dimethylpent-1-ene has a molecular weight of 116.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,4-dimethylpent-1-ene is sourced from PubChem (CID 123199486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).