N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

C13H21F2NO — CID 102653779

IUPACN-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO/c1-2-16-12(11-4-3-9-17-11)10-5-7-13(14,15)8-6-10/h4,10,12,16H,2-3,5-9H2,1H3
InChIKeyBPWUNIIUHPCOGP-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.09
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 102653779) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID102653779
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC NameN-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO/c1-2-16-12(11-4-3-9-17-11)10-5-7-13(14,15)8-6-10/h4,10,12,16H,2-3,5-9H2,1H3
InChIKeyBPWUNIIUHPCOGP-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 102653779) is N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is BPWUNIIUHPCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-2-16-12(11-4-3-9-17-11)10-5-7-13(14,15)8-6-10/h4,10,12,16H,2-3,5-9H2,1H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 245.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 102653779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).