3-(2-chloro-5-fluorophenyl)pentan-3-ol

C11H14ClFO — CID 105393736

IUPAC3-(2-chloro-5-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyNLCPNKSXYVRZRA-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.49
Rot. Bonds3

About 3-(2-chloro-5-fluorophenyl)pentan-3-ol

3-(2-chloro-5-fluorophenyl)pentan-3-ol (PubChem CID 105393736) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)pentan-3-ol
PubChem CID105393736
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name3-(2-chloro-5-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyNLCPNKSXYVRZRA-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
CID 105396365
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
CID 105393954
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)pentan-3-ol?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)pentan-3-ol (CID 105393736) is 3-(2-chloro-5-fluorophenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)pentan-3-ol?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)pentan-3-ol is CCC(O)(CC)c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)pentan-3-ol?
The InChIKey is NLCPNKSXYVRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-3-11(14,4-2)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)pentan-3-ol?
3-(2-chloro-5-fluorophenyl)pentan-3-ol has a molecular weight of 216.68 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)pentan-3-ol is sourced from PubChem (CID 105393736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).