(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol

C10H11ClFNO2 — CID 177336822

IUPAC(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
SMILESCN1CCOc2cc(Cl)c(F)c(CO)c21
InChIInChI=1S/C10H11ClFNO2/c1-13-2-3-15-8-4-7(11)9(12)6(5-14)10(8)13/h4,14H,2-3,5H2,1H3
InChIKeyRPXUCDIREPNUJB-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.80
Rot. Bonds1

About (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol

(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol (PubChem CID 177336822) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol.

Molecular Properties

Compound Name(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
PubChem CID177336822
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
SMILESCN1CCOc2cc(Cl)c(F)c(CO)c21
InChIInChI=1S/C10H11ClFNO2/c1-13-2-3-15-8-4-7(11)9(12)6(5-14)10(8)13/h4,14H,2-3,5H2,1H3
InChIKeyRPXUCDIREPNUJB-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336609
5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82231483
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 82229725
4-(1-bicyclo[1.1.1]pentanylmethyl)-7-chloro-6-fluoro-N'-hydrazinyl-2,3-dihydro-1,4-benzoxazine-5-carboximidamide
CID 177336824
1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117400326
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-amine
CID 117403455
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-3-methylbutanoic acid
CID 117487535
5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 171580460
7-chloro-6-fluoro-4-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-5-carbonitrile
CID 177336430
7-chloro-6-fluoro-4-(4-fluorobutyl)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336456
N'-[amino(methoxymethyl)amino]-7-chloro-4-[(2,4-difluorophenyl)methyl]-6-fluoro-2,3-dihydro-1,4-benzoxazine-5-carboximidamide
CID 177336801

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol?
The IUPAC name of (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol (CID 177336822) is (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol.
What is the SMILES notation for (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol?
The canonical SMILES for (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol is CN1CCOc2cc(Cl)c(F)c(CO)c21.
What is the InChIKey of (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol?
The InChIKey is RPXUCDIREPNUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13-2-3-15-8-4-7(11)9(12)6(5-14)10(8)13/h4,14H,2-3,5H2,1H3.
What are the key properties of (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol?
(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol has a molecular weight of 231.65 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol is sourced from PubChem (CID 177336822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).