(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol

C9H10BrFO — CID 142383072

IUPAC(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
SMILESC[C@](F)(CO)c1cccc(Br)c1
InChIInChI=1S/C9H10BrFO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6H2,1H3/t9-/m0/s1
InChIKeyVSYKKUZEPVYVMT-VIFPVBQESA-N
MW233.08 g/mol
LogP2.63
Rot. Bonds2

About (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol

(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol (PubChem CID 142383072) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
PubChem CID142383072
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
SMILESC[C@](F)(CO)c1cccc(Br)c1
InChIInChI=1S/C9H10BrFO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6H2,1H3/t9-/m0/s1
InChIKeyVSYKKUZEPVYVMT-VIFPVBQESA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-amino-2,2-bis(3-bromophenyl)propan-1-ol
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3-(3-bromophenyl)pentan-3-ol
CID 57443482
4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
tert-butyl N-[2-(3-bromophenyl)-1,1,1-trifluoro-3-hydroxypropan-2-yl]carbamate
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2-(3-bromophenyl)but-3-en-2-ol;ethane
CID 90927695
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CID 104809276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol?
The IUPAC name of (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol (CID 142383072) is (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol?
The canonical SMILES for (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol is C[C@](F)(CO)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol?
The InChIKey is VSYKKUZEPVYVMT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10BrFO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol?
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol has a molecular weight of 233.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 142383072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).