2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol

C11H14ClFO2 — CID 105424992

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
SMILESCC(C)Oc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C11H14ClFO2/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6H2,1-2H3
InChIKeyTTXCSXWHRWQPBM-UHFFFAOYSA-N
MW232.68 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol

2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol (PubChem CID 105424992) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
PubChem CID105424992
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
SMILESCC(C)Oc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C11H14ClFO2/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6H2,1-2H3
InChIKeyTTXCSXWHRWQPBM-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
CID 174561684
CID 174561684
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol (CID 105424992) is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol is CC(C)Oc1ccc(C(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol?
The InChIKey is TTXCSXWHRWQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol?
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol has a molecular weight of 232.68 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol is sourced from PubChem (CID 105424992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).