2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol

C13H18ClFO — CID 117363935

IUPAC2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1ccc(C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C13H18ClFO/c1-12(2,8-16)10-6-5-9(7-11(10)14)13(3,4)15/h5-7,16H,8H2,1-4H3
InChIKeyVOVOVRFSPBKIST-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.81
Rot. Bonds3

About 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol

2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 117363935) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID117363935
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1ccc(C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C13H18ClFO/c1-12(2,8-16)10-6-5-9(7-11(10)14)13(3,4)15/h5-7,16H,8H2,1-4H3
InChIKeyVOVOVRFSPBKIST-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425091
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
1,4-ditert-butyl-2-chlorobenzene;methane
CID 161178339
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425093

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (CID 117363935) is 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is CC(C)(F)c1ccc(C(C)(C)CO)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is VOVOVRFSPBKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-12(2,8-16)10-6-5-9(7-11(10)14)13(3,4)15/h5-7,16H,8H2,1-4H3.
What are the key properties of 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 244.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117363935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).