N-(2-fluoroethyl)oxan-4-amine

C7H14FNO — CID 80694353

IUPACN-(2-fluoroethyl)oxan-4-amine
SMILESFCCNC1CCOCC1
InChIInChI=1S/C7H14FNO/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6H2
InChIKeyKQXODSBSEGZYFF-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About N-(2-fluoroethyl)oxan-4-amine

N-(2-fluoroethyl)oxan-4-amine (PubChem CID 80694353) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)oxan-4-amine
PubChem CID80694353
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-(2-fluoroethyl)oxan-4-amine
SMILESFCCNC1CCOCC1
InChIInChI=1S/C7H14FNO/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6H2
InChIKeyKQXODSBSEGZYFF-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyloxan-4-amine
CID 18348908
N'-(oxan-4-yl)methanediamine
CID 115225482
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
N-(2-fluoroethyl)piperidin-4-amine
CID 84649097
N-but-3-ynyloxan-4-amine
CID 63655853
N-(bromomethyl)oxan-4-amine
CID 115261636
N-(chloromethyl)oxan-4-amine
CID 115262772
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-(2-ethoxyethyl)oxan-4-amine
CID 43608661
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
2-(oxan-4-ylamino)ethylcarbamic acid
CID 68665690
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)oxan-4-amine?
The IUPAC name of N-(2-fluoroethyl)oxan-4-amine (CID 80694353) is N-(2-fluoroethyl)oxan-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)oxan-4-amine?
The canonical SMILES for N-(2-fluoroethyl)oxan-4-amine is FCCNC1CCOCC1.
What is the InChIKey of N-(2-fluoroethyl)oxan-4-amine?
The InChIKey is KQXODSBSEGZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6H2.
What are the key properties of N-(2-fluoroethyl)oxan-4-amine?
N-(2-fluoroethyl)oxan-4-amine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)oxan-4-amine is sourced from PubChem (CID 80694353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).