2-(2-fluoropropan-2-yl)pentan-1-ol

C8H17FO — CID 84763082

IUPAC2-(2-fluoropropan-2-yl)pentan-1-ol
SMILESCCCC(CO)C(C)(C)F
InChIInChI=1S/C8H17FO/c1-4-5-7(6-10)8(2,3)9/h7,10H,4-6H2,1-3H3
InChIKeyDOQPZPGWAOOXAS-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-fluoropropan-2-yl)pentan-1-ol

2-(2-fluoropropan-2-yl)pentan-1-ol (PubChem CID 84763082) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)pentan-1-ol
PubChem CID84763082
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name2-(2-fluoropropan-2-yl)pentan-1-ol
SMILESCCCC(CO)C(C)(C)F
InChIInChI=1S/C8H17FO/c1-4-5-7(6-10)8(2,3)9/h7,10H,4-6H2,1-3H3
InChIKeyDOQPZPGWAOOXAS-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoropropan-2-yl)heptane
CID 143311381
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
(2S)-2-butyl-3-methylbutane-1,3-diol
CID 139881591
4,8-bis(trifluoromethyl)undecan-6-one
CID 174927526
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
[5-(hydroxymethyl)-2,4,4-trimethyloctan-2-yl] acetate
CID 178090001
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
2-hexyl-3-methylbutane-1,3-diol
CID 174875016
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)pentan-1-ol?
The IUPAC name of 2-(2-fluoropropan-2-yl)pentan-1-ol (CID 84763082) is 2-(2-fluoropropan-2-yl)pentan-1-ol.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)pentan-1-ol?
The canonical SMILES for 2-(2-fluoropropan-2-yl)pentan-1-ol is CCCC(CO)C(C)(C)F.
What is the InChIKey of 2-(2-fluoropropan-2-yl)pentan-1-ol?
The InChIKey is DOQPZPGWAOOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-4-5-7(6-10)8(2,3)9/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)pentan-1-ol?
2-(2-fluoropropan-2-yl)pentan-1-ol has a molecular weight of 148.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)pentan-1-ol is sourced from PubChem (CID 84763082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).