4-(2-fluoropropan-2-yl)heptane

C10H21F — CID 143311381

IUPAC4-(2-fluoropropan-2-yl)heptane
SMILESCCCC(CCC)C(C)(C)F
InChIInChI=1S/C10H21F/c1-5-7-9(8-6-2)10(3,4)11/h9H,5-8H2,1-4H3
InChIKeyCSUVZQFQVHKRBQ-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.95
Rot. Bonds5

About 4-(2-fluoropropan-2-yl)heptane

4-(2-fluoropropan-2-yl)heptane (PubChem CID 143311381) has the molecular formula C10H21F and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)heptane.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)heptane
PubChem CID143311381
Molecular FormulaC10H21F
Molecular Weight160.28 g/mol
Exact Mass160.16
IUPAC Name4-(2-fluoropropan-2-yl)heptane
SMILESCCCC(CCC)C(C)(C)F
InChIInChI=1S/C10H21F/c1-5-7-9(8-6-2)10(3,4)11/h9H,5-8H2,1-4H3
InChIKeyCSUVZQFQVHKRBQ-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
3-ethyl-2,2-difluorohexane
CID 155700319
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
4,8-bis(trifluoromethyl)undecan-6-one
CID 174927526
[(3R)-2,2-dimethylhexan-3-yl]hydrazine
CID 124537822
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
3,3-dimethyl-4-propyloctane
CID 57491237
2,2-dimethylhexan-3-ylhydrazine;hydrochloride
CID 175264360
5-(1,1-difluoroethyl)oct-1-yn-3-one
CID 176969265
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)heptane?
The IUPAC name of 4-(2-fluoropropan-2-yl)heptane (CID 143311381) is 4-(2-fluoropropan-2-yl)heptane.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)heptane?
The canonical SMILES for 4-(2-fluoropropan-2-yl)heptane is CCCC(CCC)C(C)(C)F.
What is the InChIKey of 4-(2-fluoropropan-2-yl)heptane?
The InChIKey is CSUVZQFQVHKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F/c1-5-7-9(8-6-2)10(3,4)11/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2-fluoropropan-2-yl)heptane?
4-(2-fluoropropan-2-yl)heptane has a molecular weight of 160.28 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)heptane is sourced from PubChem (CID 143311381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).