4-tert-butyl-1-fluoro-2-methylcyclopentane

C10H19F — CID 170179064

IUPAC4-tert-butyl-1-fluoro-2-methylcyclopentane
SMILESCC1CC(C(C)(C)C)CC1F
InChIInChI=1S/C10H19F/c1-7-5-8(6-9(7)11)10(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyWTVCDNNAPYJGQN-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.42
Rot. Bonds

About 4-tert-butyl-1-fluoro-2-methylcyclopentane

4-tert-butyl-1-fluoro-2-methylcyclopentane (PubChem CID 170179064) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 4-tert-butyl-1-fluoro-2-methylcyclopentane.

Molecular Properties

Compound Name4-tert-butyl-1-fluoro-2-methylcyclopentane
PubChem CID170179064
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name4-tert-butyl-1-fluoro-2-methylcyclopentane
SMILESCC1CC(C(C)(C)C)CC1F
InChIInChI=1S/C10H19F/c1-7-5-8(6-9(7)11)10(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyWTVCDNNAPYJGQN-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-fluoro-2-methylcyclopentane?
The IUPAC name of 4-tert-butyl-1-fluoro-2-methylcyclopentane (CID 170179064) is 4-tert-butyl-1-fluoro-2-methylcyclopentane.
What is the SMILES notation for 4-tert-butyl-1-fluoro-2-methylcyclopentane?
The canonical SMILES for 4-tert-butyl-1-fluoro-2-methylcyclopentane is CC1CC(C(C)(C)C)CC1F.
What is the InChIKey of 4-tert-butyl-1-fluoro-2-methylcyclopentane?
The InChIKey is WTVCDNNAPYJGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F/c1-7-5-8(6-9(7)11)10(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-1-fluoro-2-methylcyclopentane?
4-tert-butyl-1-fluoro-2-methylcyclopentane has a molecular weight of 158.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-fluoro-2-methylcyclopentane is sourced from PubChem (CID 170179064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).