4-(2-fluoroethylamino)butan-2-ol

C6H14FNO — CID 80697261

IUPAC4-(2-fluoroethylamino)butan-2-ol
SMILESCC(O)CCNCCF
InChIInChI=1S/C6H14FNO/c1-6(9)2-4-8-5-3-7/h6,8-9H,2-5H2,1H3
InChIKeySFVNWFPWSJJGFH-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.32
Rot. Bonds5

About 4-(2-fluoroethylamino)butan-2-ol

4-(2-fluoroethylamino)butan-2-ol (PubChem CID 80697261) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2-fluoroethylamino)butan-2-ol
PubChem CID80697261
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name4-(2-fluoroethylamino)butan-2-ol
SMILESCC(O)CCNCCF
InChIInChI=1S/C6H14FNO/c1-6(9)2-4-8-5-3-7/h6,8-9H,2-5H2,1H3
InChIKeySFVNWFPWSJJGFH-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
4-(prop-2-ynylamino)butan-2-ol
CID 64911944
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
(2R)-8-fluorooctan-2-ol
CID 54347912
3-chloro-N-(2-fluoroethyl)-4-methoxybutan-1-amine
CID 106242772
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)butan-2-ol?
The IUPAC name of 4-(2-fluoroethylamino)butan-2-ol (CID 80697261) is 4-(2-fluoroethylamino)butan-2-ol.
What is the SMILES notation for 4-(2-fluoroethylamino)butan-2-ol?
The canonical SMILES for 4-(2-fluoroethylamino)butan-2-ol is CC(O)CCNCCF.
What is the InChIKey of 4-(2-fluoroethylamino)butan-2-ol?
The InChIKey is SFVNWFPWSJJGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(9)2-4-8-5-3-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 4-(2-fluoroethylamino)butan-2-ol?
4-(2-fluoroethylamino)butan-2-ol has a molecular weight of 135.18 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)butan-2-ol is sourced from PubChem (CID 80697261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).