3-fluoro-2,2,4-trimethylheptane

C10H21F — CID 123271530

IUPAC3-fluoro-2,2,4-trimethylheptane
SMILESCCCC(C)C(F)C(C)(C)C
InChIInChI=1S/C10H21F/c1-6-7-8(2)9(11)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJMUHIKJADHIEFE-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.81
Rot. Bonds3

About 3-fluoro-2,2,4-trimethylheptane

3-fluoro-2,2,4-trimethylheptane (PubChem CID 123271530) has the molecular formula C10H21F and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-fluoro-2,2,4-trimethylheptane.

Molecular Properties

Compound Name3-fluoro-2,2,4-trimethylheptane
PubChem CID123271530
Molecular FormulaC10H21F
Molecular Weight160.28 g/mol
Exact Mass160.16
IUPAC Name3-fluoro-2,2,4-trimethylheptane
SMILESCCCC(C)C(F)C(C)(C)C
InChIInChI=1S/C10H21F/c1-6-7-8(2)9(11)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJMUHIKJADHIEFE-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2-trifluoro-3-methylhexan-1-ol
CID 89339704
5-tert-butyl-4,6-dimethylnonane
CID 91526510
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
3-ethyl-2,2,4-trimethylheptane
CID 22354769
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
2-methylpentane
CID 7892
7-tert-butyl-4,5-dimethyl-8-propylundecane
CID 123567067
2,2,5,6-tetramethyl-4-propan-2-ylnonane
CID 123310465
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
(3R)-3,4-dimethylheptane
CID 59819300
3-tert-butyl-2,2-dimethylhexane
CID 53428784

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,4-trimethylheptane?
The IUPAC name of 3-fluoro-2,2,4-trimethylheptane (CID 123271530) is 3-fluoro-2,2,4-trimethylheptane.
What is the SMILES notation for 3-fluoro-2,2,4-trimethylheptane?
The canonical SMILES for 3-fluoro-2,2,4-trimethylheptane is CCCC(C)C(F)C(C)(C)C.
What is the InChIKey of 3-fluoro-2,2,4-trimethylheptane?
The InChIKey is JMUHIKJADHIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F/c1-6-7-8(2)9(11)10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-fluoro-2,2,4-trimethylheptane?
3-fluoro-2,2,4-trimethylheptane has a molecular weight of 160.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,4-trimethylheptane is sourced from PubChem (CID 123271530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).