(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol

C7H14FNO — CID 167045673

IUPAC(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol
SMILESC/C(=C\CO)NC(C)CF
InChIInChI=1S/C7H14FNO/c1-6(3-4-10)9-7(2)5-8/h3,7,9-10H,4-5H2,1-2H3/b6-3+
InChIKeyCAUVDBVSSASTON-ZZXKWVIFSA-N
MW147.19 g/mol
LogP0.83
Rot. Bonds4

About (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol

(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol (PubChem CID 167045673) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol
PubChem CID167045673
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol
SMILESC/C(=C\CO)NC(C)CF
InChIInChI=1S/C7H14FNO/c1-6(3-4-10)9-7(2)5-8/h3,7,9-10H,4-5H2,1-2H3/b6-3+
InChIKeyCAUVDBVSSASTON-ZZXKWVIFSA-N
XLogP0.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol?
The IUPAC name of (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol (CID 167045673) is (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol?
The canonical SMILES for (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol is C/C(=C\CO)NC(C)CF.
What is the InChIKey of (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol?
The InChIKey is CAUVDBVSSASTON-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(3-4-10)9-7(2)5-8/h3,7,9-10H,4-5H2,1-2H3/b6-3+.
What are the key properties of (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol?
(E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-fluoropropan-2-ylamino)but-2-en-1-ol is sourced from PubChem (CID 167045673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).