5-fluoro-1,3,4-trimethylcycloheptene

C10H17F — CID 146579921

IUPAC5-fluoro-1,3,4-trimethylcycloheptene
SMILESCC1=CC(C)C(C)C(F)CC1
InChIInChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3
InChIKeyBADIRPNMEWEFQH-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.34
Rot. Bonds

About 5-fluoro-1,3,4-trimethylcycloheptene

5-fluoro-1,3,4-trimethylcycloheptene (PubChem CID 146579921) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 5-fluoro-1,3,4-trimethylcycloheptene.

Molecular Properties

Compound Name5-fluoro-1,3,4-trimethylcycloheptene
PubChem CID146579921
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name5-fluoro-1,3,4-trimethylcycloheptene
SMILESCC1=CC(C)C(C)C(F)CC1
InChIInChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3
InChIKeyBADIRPNMEWEFQH-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-4-(trifluoromethyl)cyclohexene
CID 162565648
1,3,4,5-tetramethylcyclohexene
CID 12751050
1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 118112369
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
2,4-dimethylcyclohex-3-ene-1-sulfinic acid
CID 163733260
1,3-dimethyl-4-(2-methylpropyl)cyclohexene
CID 23463248
(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
CID 89444486
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
2-[(1S,2R)-2,4-dimethylcyclohex-3-en-1-yl]acetic acid
CID 89187199
3-(2,4-dimethylcyclohex-3-en-1-yl)-3-methylbutan-2-one
CID 175196840
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
4-butyl-1,3-dimethylcyclohexene;methanol
CID 20561551

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,4-trimethylcycloheptene?
The IUPAC name of 5-fluoro-1,3,4-trimethylcycloheptene (CID 146579921) is 5-fluoro-1,3,4-trimethylcycloheptene.
What is the SMILES notation for 5-fluoro-1,3,4-trimethylcycloheptene?
The canonical SMILES for 5-fluoro-1,3,4-trimethylcycloheptene is CC1=CC(C)C(C)C(F)CC1.
What is the InChIKey of 5-fluoro-1,3,4-trimethylcycloheptene?
The InChIKey is BADIRPNMEWEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-1,3,4-trimethylcycloheptene?
5-fluoro-1,3,4-trimethylcycloheptene has a molecular weight of 156.24 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,4-trimethylcycloheptene is sourced from PubChem (CID 146579921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).