1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene

C14H25F — CID 123538956

IUPAC1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene
SMILESCCCC1(C)C(C)=C(F)CCC(C)C1C
InChIInChI=1S/C14H25F/c1-6-9-14(5)11(3)10(2)7-8-13(15)12(14)4/h10-11H,6-9H2,1-5H3
InChIKeyAJACSUFSRNQTBT-UHFFFAOYSA-N
MW212.35 g/mol
LogP5.10
Rot. Bonds2

About 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene

1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene (PubChem CID 123538956) has the molecular formula C14H25F and a molecular weight of 212.35 g/mol. Its IUPAC name is 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene.

Molecular Properties

Compound Name1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene
PubChem CID123538956
Molecular FormulaC14H25F
Molecular Weight212.35 g/mol
Exact Mass212.19
IUPAC Name1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene
SMILESCCCC1(C)C(C)=C(F)CCC(C)C1C
InChIInChI=1S/C14H25F/c1-6-9-14(5)11(3)10(2)7-8-13(15)12(14)4/h10-11H,6-9H2,1-5H3
InChIKeyAJACSUFSRNQTBT-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
2,3-dimethyl-1,1-dipropylcyclobutane
CID 143150497
3-bromo-2-methyl-2-propyloxirane
CID 141287947
3,3,4,5-tetramethyl-1-propylcyclohexan-1-amine
CID 66694583
2,3-dimethyl-1-propan-2-yl-1-propylcyclobutane
CID 123295211
N,2,3-trimethyl-1-propylcyclobutan-1-amine
CID 89259058
cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde
CID 143830266
2,3-dimethyl-2-propylaziridine
CID 123992321
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
(4R)-4-butyl-2,3,4-trimethylcyclohexan-1-one
CID 171562770
2-methyl-2-propylcyclobutan-1-ol
CID 89040523

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene?
The IUPAC name of 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene (CID 123538956) is 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene.
What is the SMILES notation for 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene?
The canonical SMILES for 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene is CCCC1(C)C(C)=C(F)CCC(C)C1C.
What is the InChIKey of 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene?
The InChIKey is AJACSUFSRNQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F/c1-6-9-14(5)11(3)10(2)7-8-13(15)12(14)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene?
1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene has a molecular weight of 212.35 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,4,5-tetramethyl-3-propylcycloheptene is sourced from PubChem (CID 123538956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).