1-fluoro-1-methylcycloheptane

C8H15F — CID 57055784

IUPAC1-fluoro-1-methylcycloheptane
SMILESCC1(F)CCCCCC1
InChIInChI=1S/C8H15F/c1-8(9)6-4-2-3-5-7-8/h2-7H2,1H3
InChIKeyGRMCRGJEWBCNMU-UHFFFAOYSA-N
MW130.21 g/mol
LogP3.07
Rot. Bonds

About 1-fluoro-1-methylcycloheptane

1-fluoro-1-methylcycloheptane (PubChem CID 57055784) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-fluoro-1-methylcycloheptane.

Molecular Properties

Compound Name1-fluoro-1-methylcycloheptane
PubChem CID57055784
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-fluoro-1-methylcycloheptane
SMILESCC1(F)CCCCCC1
InChIInChI=1S/C8H15F/c1-8(9)6-4-2-3-5-7-8/h2-7H2,1H3
InChIKeyGRMCRGJEWBCNMU-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-1-methylcyclopropane
CID 18684623
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
(3R)-3-fluoro-3-methylazepane
CID 124708989
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
CID 54567710
ethane;4-fluoro-4-methylpiperidine
CID 142139578
1,1-dimethylcyclohexane;methane
CID 160770296
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
azane;1,1-dimethylcyclohexane
CID 90411117
1-tert-butyl-1-fluorocyclohexane
CID 13144920
1-(bromomethyl)-1-methylcycloheptane
CID 131000310

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methylcycloheptane?
The IUPAC name of 1-fluoro-1-methylcycloheptane (CID 57055784) is 1-fluoro-1-methylcycloheptane.
What is the SMILES notation for 1-fluoro-1-methylcycloheptane?
The canonical SMILES for 1-fluoro-1-methylcycloheptane is CC1(F)CCCCCC1.
What is the InChIKey of 1-fluoro-1-methylcycloheptane?
The InChIKey is GRMCRGJEWBCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-8(9)6-4-2-3-5-7-8/h2-7H2,1H3.
What are the key properties of 1-fluoro-1-methylcycloheptane?
1-fluoro-1-methylcycloheptane has a molecular weight of 130.21 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methylcycloheptane is sourced from PubChem (CID 57055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).