1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol

C10H13ClFNO — CID 61467127

IUPAC1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyLVBXTMUQQQKURT-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol

1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol (PubChem CID 61467127) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol
PubChem CID61467127
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyLVBXTMUQQQKURT-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol (CID 61467127) is 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol?
The InChIKey is LVBXTMUQQQKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol?
1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 61467127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).