1-(3-fluoroanilino)-3-methoxypropan-2-ol

C10H14FNO2 — CID 63928582

IUPAC1-(3-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C10H14FNO2/c1-14-7-10(13)6-12-9-4-2-3-8(11)5-9/h2-5,10,12-13H,6-7H2,1H3
InChIKeyKXRLBCLMGWBTDH-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.24
Rot. Bonds5

About 1-(3-fluoroanilino)-3-methoxypropan-2-ol

1-(3-fluoroanilino)-3-methoxypropan-2-ol (PubChem CID 63928582) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-fluoroanilino)-3-methoxypropan-2-ol
PubChem CID63928582
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name1-(3-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C10H14FNO2/c1-14-7-10(13)6-12-9-4-2-3-8(11)5-9/h2-5,10,12-13H,6-7H2,1H3
InChIKeyKXRLBCLMGWBTDH-UHFFFAOYSA-N
XLogP1.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
CID 60897189
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3-fluoroanilino)-3-methoxypropan-2-ol (CID 63928582) is 1-(3-fluoroanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3-fluoroanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3-fluoroanilino)-3-methoxypropan-2-ol is COCC(O)CNc1cccc(F)c1.
What is the InChIKey of 1-(3-fluoroanilino)-3-methoxypropan-2-ol?
The InChIKey is KXRLBCLMGWBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-14-7-10(13)6-12-9-4-2-3-8(11)5-9/h2-5,10,12-13H,6-7H2,1H3.
What are the key properties of 1-(3-fluoroanilino)-3-methoxypropan-2-ol?
1-(3-fluoroanilino)-3-methoxypropan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63928582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).