1-fluoro-3-methylheptan-2-ol

C8H17FO — CID 122599053

IUPAC1-fluoro-3-methylheptan-2-ol
SMILESCCCCC(C)C(O)CF
InChIInChI=1S/C8H17FO/c1-3-4-5-7(2)8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCFCBYJOFVGQEIZ-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.14
Rot. Bonds5

About 1-fluoro-3-methylheptan-2-ol

1-fluoro-3-methylheptan-2-ol (PubChem CID 122599053) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-fluoro-3-methylheptan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-methylheptan-2-ol
PubChem CID122599053
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-fluoro-3-methylheptan-2-ol
SMILESCCCCC(C)C(O)CF
InChIInChI=1S/C8H17FO/c1-3-4-5-7(2)8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCFCBYJOFVGQEIZ-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
(3R)-3-amino-1-fluoroheptan-2-ol
CID 122585066
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
butane;ethane;3-methylheptan-2-ol
CID 176696047
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
1-fluorohexan-2-ol
CID 11819078
5-fluoro-6-methyldecane
CID 123598559
1-amino-3-methylundecan-2-ol
CID 123763620
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylheptan-2-ol?
The IUPAC name of 1-fluoro-3-methylheptan-2-ol (CID 122599053) is 1-fluoro-3-methylheptan-2-ol.
What is the SMILES notation for 1-fluoro-3-methylheptan-2-ol?
The canonical SMILES for 1-fluoro-3-methylheptan-2-ol is CCCCC(C)C(O)CF.
What is the InChIKey of 1-fluoro-3-methylheptan-2-ol?
The InChIKey is CFCBYJOFVGQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-4-5-7(2)8(10)6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-3-methylheptan-2-ol?
1-fluoro-3-methylheptan-2-ol has a molecular weight of 148.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylheptan-2-ol is sourced from PubChem (CID 122599053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).